Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.33 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | EBP | Q15125 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19212438 | 0.78 | ALDH1A1 (0.44) | ALDH1A1KDM4EIDO1 | |
| SCHEMBL19212353 | 0.74 | IDO1 (0.39) | BACE1NOS3NOS1NOS2ALDH1A1 | |
| SCHEMBL11469024 | 0.73 | MAPK1 (0.46) | BACE1ALDH1A1IDO1 | |
| SCHEMBL5847226 | 0.72 | BACE1 (0.39) | BACE1NOS3NOS1NOS2EPHX2 | |
| SCHEMBL6811989 | 0.72 | HSD11B1 (0.38) | ALDH1A1SIGMAR1KDM4ETMEM97EBP | |
| SCHEMBL28262273 | 0.72 | KMT2A (0.48) | ALDH1A1KDM4E | |
| SCHEMBL19212435 | 0.72 | IDO1 (0.41) | ALDH1A1KDM4EIDO1 | |
| SCHEMBL19243418 | 0.72 | SLC6A4 (0.35) | — | |
| SCHEMBL11127040 | 0.71 | IDO1 (0.45) | ALDH1A1KDM4EIDO1 | |
| SCHEMBL18112190 | 0.71 | IDO1 (0.40) | ALDH1A1KDM4EIDO1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3414224-A1 | INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) | Inventisbio Inc. (KY) | 2018-12-19 | — | — | EP | disclosed |
| WO-2017139414-A1 | INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) | INVENTISBIO INC. (KY) | 2017-08-17 | — | — | WO | disclosed |